LAMMPS (27 Nov 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
  using 1 OpenMP thread(s) per MPI task
# pour particles into cone-shaped funnel, settle them, let them run out bottom

variable	name string funnel_pour

thermo_modify	flush yes
units 		si
variable	PI equal 3.141592653589
variable	seed equal 14314

###############################################
# Geometry-related parameters
###############################################

variable	xlo equal 10
variable	xhi equal 40
variable	ylo equal 10
variable	yhi equal 40
variable	zlo equal -20
variable	zhi equal 50

variable	xc equal 25
variable	yc equal 25

variable	zconehi equal 50
variable	zconelo equal 10
variable	zcyllo equal 0
variable	radconelo equal 2
variable	radconehi equal 20

################################################
# Particle sizes
################################################

variable	rlo equal 0.25
variable	rhi equal 0.5
variable	dlo equal 2.0*${rlo}
variable	dlo equal 2.0*0.25
variable	dhi equal 2.0*${rhi}
variable	dhi equal 2.0*0.5

variable 	skin equal ${rhi}
variable 	skin equal 0.5

###############################################
# Granular contact parameters
###############################################

variable	coeffRes equal 0.1
variable	coeffFric equal 0.5

variable	density equal 1.0
variable	EYoung equal 10^5
variable 	Poisson equal 2.0/7.0
variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
variable	GShear equal 100000/(2*(1+${Poisson}))
variable	GShear equal 100000/(2*(1+0.285714285714286))

variable	gravity equal 1.0

variable	reff equal 0.5*(${rhi}+${rlo})
variable	reff equal 0.5*(0.5+${rlo})
variable	reff equal 0.5*(0.5+0.25)
variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5

## Typical way to set kn, kt, etc.:
variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
variable        kt equal 4.0*${GShear}/(2-${Poisson})
variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)

variable	a equal (-2.0*log(${coeffRes})/${PI})^2
variable	a equal (-2.0*log(0.1)/${PI})^2
variable	a equal (-2.0*log(0.1)/3.141592653589)^2
variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
variable        gamma_t equal ${gamma_n}*0.5
variable        gamma_t equal 903.503751814138*0.5

variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)

variable	dt equal ${tcol}*0.05
variable	dt equal 0.00210943016014969*0.05
timestep	${dt}
timestep	0.000105471508007485

###############################################
variable	dumpfreq equal 1000
variable	logfreq equal 1000

newton 		off
atom_style	sphere

boundary	p p f

region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
region		boxreg block 10 40 10 40 ${zlo} ${zhi}
region		boxreg block 10 40 10 40 -20 ${zhi}
region		boxreg block 10 40 10 40 -20 50
create_box	1 boxreg
Created orthogonal box = (10 10 -20) to (40 40 50)
  1 by 1 by 1 MPI processor grid

pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
pair_coeff	* *

neighbor        ${skin} bin
neighbor        0.5 bin
thermo 		${logfreq}
thermo 		1000

comm_style	brick
comm_modify 	mode multi group all vel yes
balance		1.1 shift xyz 20 1.1
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0
  ghost atom cutoff = 0
  binsize = 30, bins = 1 1 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair gran/hertz/history, perpetual
      attributes: half, newton off, size, history
      pair build: half/size/bin/newtoff
      stencil: half/bin/3d/newtoff
      bin: standard
fix		bal all balance 10000 1.1 shift xyz 20 1.01

####################### Options specific to pouring #########################

# insertion region for fix/pour

region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
region	     	insreg cylinder z 25 25 10 30 50 side in units box

# define cone and cylinder regions - see lammps doc on region command
# note new open options

region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 

region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 

region		hopreg union 2 conereg cylreg

fix		grav all gravity ${gravity} vector 0 0 -1
fix		grav all gravity 1 vector 0 0 -1
fix		1 all nve/sphere


fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg

fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
Particle insertion: 3000 every 59965 steps, 2000 by step 1

#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z

#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
#dump_modify	2 pad 6

thermo_style	custom step cpu atoms ke
WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
thermo_modify	flush yes lost warn

# Initial run to fill up the cone

run		20000
Per MPI rank memory allocation (min/avg/max) = 6.649 | 6.649 | 6.649 Mbytes
Step CPU Atoms KinEng 
       0            0        0           -0 
    1000   0.63593698     2000           -0 
    2000    1.0282419     2000           -0 
    3000    1.4184453     2000           -0 
    4000    1.8055785     2000           -0 
    5000    2.1941335     2000           -0 
    6000    2.5804653     2000           -0 
    7000    2.9660621     2000           -0 
    8000    3.3506265     2000           -0 
    9000    3.7344413     2000           -0 
   10000    4.1212304     2000           -0 
   11000    4.5044594     2000           -0 
   12000    4.8875456     2000           -0 
   13000    5.2698007     2000           -0 
   14000    5.6527214     2000           -0 
   15000    6.0349295     2000           -0 
   16000    6.4172938     2000           -0 
   17000    6.8001184     2000           -0 
   18000    7.1826644     2000           -0 
   19000    7.5654378     2000           -0 
   20000    7.9511659     2000           -0 
Loop time of 7.95118 on 1 procs for 20000 steps with 2000 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.6189     | 0.6189     | 0.6189     |   0.0 |  7.78
Neigh   | 0.09361    | 0.09361    | 0.09361    |   0.0 |  1.18
Comm    | 0.016098   | 0.016098   | 0.016098   |   0.0 |  0.20
Output  | 0.00048828 | 0.00048828 | 0.00048828 |   0.0 |  0.01
Modify  | 6.9973     | 6.9973     | 6.9973     |   0.0 | 88.00
Other   |            | 0.2248     |            |       |  2.83

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1537 ave 1537 max 1537 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1537
Ave neighs/atom = 0.7685
Neighbor list builds = 69
Dangerous builds = 0
unfix 		ins
run		150000
Per MPI rank memory allocation (min/avg/max) = 12.77 | 12.77 | 12.77 Mbytes
Step CPU Atoms KinEng 
   20000            0     2000    6443.7665 
   21000    0.3826313     2000    6572.3531 
   22000   0.76688981     2000    6723.8376 
   23000    1.1534231     2000    6853.1812 
   24000    1.5391715     2000    6976.0209 
   25000    1.9263508     2000    7096.9955 
   26000    2.3168406     2000    7215.5795 
   27000    2.7065961     2000    7349.2382 
   28000     3.096664     2000    7471.8719 
   29000    3.4905531     2000    7574.8228 
   30000    3.8877606     2000    7659.3836 
   31000    4.2839894     2000    7703.6856 
   32000    4.6859732     2000     7644.279 
   33000    5.0932801     2000    7526.6944 
   34000    5.5045564     2000    7370.0821 
   35000    5.9206297     2000    7193.0457 
   36000     6.343729     2000    6990.9899 
   37000    6.7719142     2000    6849.2841 
   38000    7.2016783     2000    6701.7433 
   39000    7.6354482     2000    6538.9557 
   40000     8.078445     2000    6381.9346 
   41000    8.5191586     2000    6217.5253 
   42000    8.9630713     2000    6093.5344 
   43000    9.4097741     2000    5943.0479 
   44000    9.8652256     2000    5841.0782 
   45000    10.331057     2000    5652.8319 
   46000    10.803253     2000    5476.1466 
   47000    11.278766     2000    5267.7855 
   48000    11.759121     2000    5131.4036 
   49000    12.248896     2000    4972.7696 
   50000    12.747719     2000    4867.0868 
   51000    13.246704     2000     4681.897 
   52000    13.757842     2000    4506.8185 
   53000    14.276078     2000    4346.8045 
   54000    14.795933     2000    4193.8194 
   55000    15.311241     2000    4058.2049 
   56000    15.828737     2000    3879.0325 
   57000    16.359453     2000    3696.3154 
   58000    16.905406     2000    3504.0399 
   59000    17.460454     2000    3284.6522 
   60000    18.027276     2000    3061.0727 
   61000    18.586931     2000    2874.2926 
   62000    19.158563     2000    2653.0722 
   63000    19.738442     2000    2437.4941 
   64000    20.331411     2000    2124.1876 
   65000    20.936204     2000    1864.5661 
   66000    21.547443     2000    1610.2335 
   67000    22.166888     2000    1390.0428 
   68000    22.789106     2000    1163.7679 
   69000    23.416016     2000     933.0928 
   70000    24.038879     2000    745.66667 
   71000    24.663115     2000    605.58458 
   72000    25.294193     2000    444.31183 
   73000    25.932019     2000    357.19162 
   74000    26.568184     2000    291.16762 
   75000    27.203393     2000    230.58362 
   76000    27.836079     2000    197.59502 
   77000    28.467344     2000    166.55702 
   78000    29.099997     2000    139.89052 
   79000    29.741694     2000     117.1145 
   80000    30.388097     2000    100.12353 
   81000    31.036193     2000    85.233155 
   82000    31.688463     2000    71.145302 
   83000    32.343411     2000    61.545348 
   84000    32.999346     2000    54.099358 
   85000    33.652976     2000    46.922028 
   86000    34.306931     2000    41.606645 
   87000    34.967787     2000    37.462793 
   88000    35.633721     2000    33.698298 
   89000    36.310035     2000    29.340455 
   90000    36.995441     2000    26.072122 
   91000     37.67904     2000     23.20848 
   92000    38.367699     2000    21.015862 
   93000    39.058641     2000    20.134175 
   94000    39.749342     2000    19.196075 
   95000    40.442651     2000    18.285127 
   96000    41.140177     2000    17.476411 
   97000    41.840761     2000     16.55882 
   98000    42.543845     2000    15.444541 
   99000    43.256415     2000     14.41642 
  100000     43.97382     2000    13.818738 
  101000    44.684596     2000    12.878373 
  102000    45.401082     2000     12.11804 
  103000    46.120936     2000    11.016885 
  104000     46.83935     2000    10.531044 
  105000    47.559419     2000     10.46735 
  106000    48.286016     2000    10.246007 
  107000    49.012266     2000    9.6423041 
  108000     49.74013     2000    9.3948808 
  109000    50.471961     2000    9.5178141 
  110000    51.206152     2000    9.4143884 
  111000    51.939123     2000    9.5058226 
  112000    52.673443     2000    9.6911516 
  113000    53.410485     2000    9.7756849 
  114000    54.152537     2000    9.3876232 
  115000    54.891784     2000    8.6725333 
  116000    55.631474     2000    8.6691065 
  117000    56.371762     2000    8.0156055 
  118000    57.110131     2000    7.9150786 
  119000      57.8533     2000    7.5310892 
  120000    58.599064     2000    7.2940498 
  121000    59.340753     2000    6.8347898 
  122000    60.084676     2000     6.696484 
  123000    60.826952     2000    6.7799146 
  124000    61.569413     2000    6.7901567 
  125000    62.316334     2000    6.7532108 
  126000    63.061374     2000     6.762162 
  127000    63.806385     2000    6.6317366 
  128000    64.555969     2000    6.8246399 
  129000    65.308131     2000    6.9130358 
  130000    66.060967     2000    7.1750566 
  131000    66.809725     2000    6.9507379 
  132000    67.559796     2000    6.7987445 
  133000    68.314249     2000    6.8535775 
  134000    69.065513     2000    7.0255144 
  135000    69.817604     2000    6.7381064 
  136000    70.572079     2000    6.5567748 
  137000    71.324444     2000    6.2655395 
  138000    72.079147     2000    6.1923013 
  139000    72.831323     2000    6.0958081 
  140000     73.59117     2000    5.9185709 
  141000    74.343753     2000    5.9151241 
  142000    75.096509     2000    5.4743035 
  143000    75.852151     2000     5.438642 
  144000    76.605005     2000    4.6646664 
  145000    77.357571     2000    4.6899837 
  146000    78.113125     2000    4.5357917 
  147000    78.867751     2000    4.5993842 
  148000    79.625344     2000    4.7076884 
  149000     80.37992     2000    4.8306642 
  150000    81.143175     2000    4.8282147 
  151000    81.899326     2000     4.546308 
  152000    82.658645     2000    4.6700755 
  153000     83.41837     2000    4.7557633 
  154000     84.17509     2000    4.9004538 
  155000    84.934161     2000    5.0552949 
  156000    85.695466     2000    4.0672495 
  157000    86.453115     2000    3.5819543 
  158000    87.212663     2000    3.3533477 
  159000    87.967768     2000    3.3281001 
  160000    88.729631     2000    3.0831743 
  161000    89.498983     2000    3.0519269 
  162000    90.259424     2000    3.0951675 
  163000    91.019656     2000    2.9868352 
  164000    91.776359     2000    2.9195788 
  165000    92.536374     2000    2.5637813 
  166000    93.296332     2000    2.5553272 
  167000     94.05653     2000    2.0752912 
  168000    94.814559     2000    1.9689845 
  169000    95.576005     2000    1.9117916 
  170000    96.337863     2000    1.8568914 
Loop time of 96.3379 on 1 procs for 150000 steps with 2000 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 37.121     | 37.121     | 37.121     |   0.0 | 38.53
Neigh   | 0.8454     | 0.8454     | 0.8454     |   0.0 |  0.88
Comm    | 0.11506    | 0.11506    | 0.11506    |   0.0 |  0.12
Output  | 0.004431   | 0.004431   | 0.004431   |   0.0 |  0.00
Modify  | 56.517     | 56.517     | 56.517     |   0.0 | 58.67
Other   |            | 1.735      |            |       |  1.80

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    15524 ave 15524 max 15524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 15524
Ave neighs/atom = 7.762
Neighbor list builds = 388
Dangerous builds = 0

# remove "plug" - need to redefine cylinder region & union

region	  	cylreg delete
region		hopreg delete
region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 

region		hopreg union 2 cylreg conereg

unfix		hopper3
fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg

run		100000
Per MPI rank memory allocation (min/avg/max) = 18.64 | 18.64 | 18.64 Mbytes
Step CPU Atoms KinEng 
  170000            0     2000    1.8568914 
  171000   0.75704765     2000    2.4011583 
  172000    1.5101345     2000     3.176628 
  173000    2.2556529     2000    4.5364486 
  174000    2.9946566     2000    6.5494125 
  175000    3.7253478     2000    9.1934319 
  176000    4.4570525     2000     12.25765 
  177000    5.1876664     2000    15.799657 
  178000    5.9178619     2000    19.982558 
  179000    6.6439464     2000    24.927165 
  180000    7.3749168     2000    30.428362 
  181000    8.1011977     2000     36.74232 
  182000    8.8207343     2000    43.820448 
  183000    9.5397925     2000    50.903222 
  184000    10.253098     2000    59.425781 
  185000    10.965505     2000    69.143119 
  186000    11.673319     2000    79.210705 
  187000    12.373966     2000    90.411346 
  188000    13.075475     2000    102.35389 
  189000    13.770632     2000    114.93888 
  190000    14.469445     2000    128.63341 
  191000    15.158381     2000    143.44526 
  192000    15.846267     2000    159.04574 
  193000    16.527754     2000     174.3114 
  194000    17.204808     2000    190.42123 
  195000    17.881059     2000    207.70459 
  196000    18.556555     2000    224.90931 
  197000    19.229818     2000    242.64914 
  198000    19.905086     2000    261.48312 
  199000    20.578518     2000    281.28308 
  200000     21.25632     2000    302.95108 
  201000    21.921347     2000    325.95534 
  202000    22.583873     2000     350.6874 
  203000    23.244724     2000    376.31773 
  204000    23.904842     2000    404.21947 
  205000    24.562788     2000    432.96116 
  206000    25.217762     2000     462.4113 
  207000    25.875814     2000    491.91207 
  208000    26.531285     2000    522.15395 
  209000    27.184766     2000     553.1024 
  210000    27.842961     2000     585.7133 
  211000    28.489339     2000    619.96357 
  212000    29.139612     2000    653.96189 
  213000    29.783866     2000     689.8027 
  214000    30.426881     2000    727.28401 
  215000     31.06706     2000    766.40354 
  216000    31.706399     2000    805.65433 
  217000    32.343033     2000    845.40981 
  218000    32.989384     2000    884.24637 
  219000    33.633664     2000     923.5998 
  220000    34.285172     2000    965.01779 
  221000    34.931959     2000    1009.1763 
  222000    35.571624     2000    1054.7789 
  223000    36.207868     2000    1101.9922 
  224000    36.836062     2000    1151.1205 
  225000    37.464514     2000    1201.3979 
  226000     38.09746     2000    1252.4054 
  227000    38.732507     1999    1296.6784 
  228000    39.371367     1997    1342.3466 
  229000    40.012553     1992    1368.8559 
  230000    40.652111     1977    1360.2259 
  231000    41.275478     1965    1340.3793 
  232000    41.892734     1953    1318.8318 
  233000     42.50588     1938    1295.5667 
  234000    43.121427     1924    1270.0641 
  235000    43.740727     1914     1258.296 
  236000    44.359241     1902    1224.3945 
  237000    44.979463     1899    1248.3905 
  238000    45.597358     1885    1206.9229 
  239000    46.210114     1875    1195.5429 
  240000    46.818148     1861    1142.6591 
  241000    47.411079     1851    1131.5523 
  242000    48.002522     1841    1116.8741 
  243000    48.594254     1830    1099.9978 
  244000    49.191798     1822    1078.6068 
  245000    49.791332     1814    1072.1498 
  246000    50.389728     1803    1020.7842 
  247000    50.984212     1794    1000.1936 
  248000    51.571047     1781    942.02462 
  249000    52.149428     1772    916.83697 
  250000    52.726202     1758    825.10751 
  251000     53.29913     1748    789.06351 
  252000    53.871912     1739    753.92258 
  253000    54.441009     1729    697.83686 
  254000    55.010203     1718    648.98541 
  255000    55.573602     1710    620.38129 
  256000    56.134709     1705    622.43466 
  257000    56.701827     1700    595.79102 
  258000    57.264463     1698    608.49223 
  259000    57.827817     1695     614.0119 
  260000    58.398994     1690    601.50438 
  261000    58.964611     1687     608.5892 
  262000    59.526765     1683    597.07884 
  263000    60.082729     1682    618.65041 
  264000    60.640105     1678    615.47784 
  265000    61.195717     1675    605.27658 
  266000    61.751087     1671    583.69853 
  267000    62.305546     1669    600.11043 
  268000     62.86105     1666    598.79807 
  269000    63.417551     1663    588.40338 
  270000    63.974486     1660    579.59387 
Loop time of 63.9745 on 1 procs for 100000 steps with 1660 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 26.514     | 26.514     | 26.514     |   0.0 | 41.44
Neigh   | 0.60324    | 0.60324    | 0.60324    |   0.0 |  0.94
Comm    | 0.075881   | 0.075881   | 0.075881   |   0.0 |  0.12
Output  | 0.0029137  | 0.0029137  | 0.0029137  |   0.0 |  0.00
Modify  | 35.686     | 35.686     | 35.686     |   0.0 | 55.78
Other   |            | 1.092      |            |       |  1.71

Nlocal:    1660 ave 1660 max 1660 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    11681 ave 11681 max 11681 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 11681
Ave neighs/atom = 7.03675
Neighbor list builds = 249
Dangerous builds = 0
Total wall time: 0:02:48
